U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrF3 by Materials Project
Abstract
PrF3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Pr–F bond distances ranging from 2.39–2.96 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Pr3+ and one F1- atom. The F–F bond length is 2.54 Å. In the third F1- site, F1- is bonded to six equivalent Pr3+ and six equivalent F1- atoms to form face-sharing FPr6F6 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1190767
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; F-Pr; PrF3; crystal structure
- OSTI Identifier:
- 1740338
- DOI:
- https://doi.org/10.17188/1740338
Citation Formats
Materials Data on PrF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740338.
Materials Data on PrF3 by Materials Project. United States. doi:https://doi.org/10.17188/1740338
2020.
"Materials Data on PrF3 by Materials Project". United States. doi:https://doi.org/10.17188/1740338. https://www.osti.gov/servlets/purl/1740338. Pub date:Mon May 04 04:00:00 UTC 2020
@article{osti_1740338,
title = {Materials Data on PrF3 by Materials Project},
abstractNote = {PrF3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Pr–F bond distances ranging from 2.39–2.96 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Pr3+ and one F1- atom. The F–F bond length is 2.54 Å. In the third F1- site, F1- is bonded to six equivalent Pr3+ and six equivalent F1- atoms to form face-sharing FPr6F6 cuboctahedra.},
doi = {10.17188/1740338},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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